title = ssDNA minimization
cpp = /lib/cpp -traditional
define = 
constraints = none
integrator = steep
dt = 0.002 ; ps !
nsteps = 500


nstlist = 10
ns_type = grid
rlist = 1.0
coulombtype = PME
rcoulomb = 1.0
rvdw = 1.4
fourierspacing = 0.12  ;
fourier_nx = 0
fourier_ny = 0
fourier_nz = 0
pme_order = 6  ;;
ewald_rtol = 1e-5
optimize_fft = yes;
;;;;;;;;;;;;;;;;;;;;;;;;;;;;emtol = 1000.0
emstep = 0.01